SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1u2e'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		4 / 8 GLY A 135
THR A 137
GLY A 243
LEU A 220
 None
 0.74A 1aegA-1u2eA:
undetectable		 1aegA-1u2eA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 11 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.79A 1hxwB-1u2eA:
undetectable		 1hxwB-1u2eA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F80_B_017B301_1
(POL POLYPROTEIN)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.85A 2f80A-1u2eA:
undetectable		 2f80A-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F81_A_017A302_1
(POL POLYPROTEIN)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.84A 2f81A-1u2eA:
undetectable		 2f81A-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F81_A_017A302_2
(POL POLYPROTEIN)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.96A 2f81B-1u2eA:
undetectable		 2f81B-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS1_A_017A201_2
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 2hs1B-1u2eA:
undetectable		 2hs1B-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS2_A_017A201_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.94A 2hs2A-1u2eA:
undetectable		 2hs2A-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEN_B_017B402_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 2ienA-1u2eA:
undetectable		 2ienA-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEN_B_017B402_2
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.94A 2ienB-1u2eA:
undetectable		 2ienB-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEO_A_017A402_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 2ieoA-1u2eA:
undetectable		 2ieoA-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEO_A_017A402_2
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.84A 2ieoB-1u2eA:
undetectable		 2ieoB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 2pymB-1u2eA:
undetectable		 2pymB-1u2eA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 247
ASP A 241
THR A 137
GLY A 136
LEU A 255
 None
 1.19A 2uvnA-1u2eA:
undetectable		 2uvnA-1u2eA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZBU_D_ADND504_1
(UNCHARACTERIZED
CONSERVED PROTEIN)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		3 / 3 PHE A  50
ASN A  53
PHE A 273
 None
 1.09A 2zbuD-1u2eA:
2.9		 2zbuD-1u2eA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BVB_B_017B401_1
(PROTEASE
(RETROPEPSIN))		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.89A 3bvbA-1u2eA:
undetectable		 3bvbA-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.77A 3cywA-1u2eA:
undetectable		 3cywA-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.87A 3cywB-1u2eA:
undetectable		 3cywB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.80A 3d1xB-1u2eA:
undetectable		 3d1xB-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D20_A_017A201_1
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 3d20A-1u2eA:
undetectable		 3d20A-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.85A 3jw2A-1u2eA:
undetectable		 3jw2A-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.84A 3k4vA-1u2eA:
undetectable		 3k4vA-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.82A 3k4vB-1u2eA:
undetectable		 3k4vB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.85A 3lzsA-1u2eA:
undetectable		 3lzsA-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZS_A_017A200_2
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 3lzsB-1u2eA:
undetectable		 3lzsB-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.84A 3lzuA-1u2eA:
undetectable		 3lzuA-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZU_A_017A200_2
(HIV-1 PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 3lzuB-1u2eA:
undetectable		 3lzuB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_A_ROCA101_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.86A 3ndtA-1u2eA:
undetectable		 3ndtA-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_A_ROCA101_3
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.80A 3ndtB-1u2eA:
undetectable		 3ndtB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU3_B_478B401_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.79A 3nu3A-1u2eA:
undetectable		 3nu3A-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_2
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 10 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.87A 3nu9B-1u2eA:
undetectable		 3nu9B-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWM_B_017B402_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.79A 3pwmA-1u2eA:
undetectable		 3pwmA-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWM_B_017B402_2
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.96A 3pwmB-1u2eA:
undetectable		 3pwmB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWR_A_ROCA401_3
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.80A 3pwrB-1u2eA:
undetectable		 3pwrB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKW_B_017B401_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.90A 3tkwA-1u2eA:
undetectable		 3tkwA-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKW_B_017B401_2
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.84A 3tkwB-1u2eA:
undetectable		 3tkwB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 3tl9A-1u2eA:
undetectable		 3tl9A-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_3
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.81A 3tl9B-1u2eA:
undetectable		 3tl9B-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TX2_A_BEZA251_0
(PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		4 / 7 ALA A  48
TRP A 264
TRP A 267
ALA A 187
 None
 1.45A 3tx2A-1u2eA:
1.3		 3tx2A-1u2eA:
26.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCB_A_017A201_2
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.86A 3ucbB-1u2eA:
undetectable		 3ucbB-1u2eA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 8 GLY A  39
SER A 110
MET A 111
ILE A 151
VAL A 238
 CL  A1002 ( 3.7A)
None
None
None
None
 0.50A 3v1nA-1u2eA:
45.2		 3v1nA-1u2eA:
50.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1475_0
(MJ0495-LIKE PROTEIN)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		4 / 8 ILE A 229
VAL A 117
SER A  85
GLY A 113
 None
 0.85A 4ac9C-1u2eA:
2.8		 4ac9C-1u2eA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		4 / 8 ILE A 229
VAL A 117
SER A  85
GLY A 113
 None
 0.76A 4acaC-1u2eA:
4.1		 4acaC-1u2eA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 10 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.94A 4dqbB-1u2eA:
undetectable		 4dqbB-1u2eA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 10 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.94A 4dqeB-1u2eA:
undetectable		 4dqeB-1u2eA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 10 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.96A 4dqhB-1u2eA:
undetectable		 4dqhB-1u2eA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HLA_A_017A200_1
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.82A 4hlaA-1u2eA:
undetectable		 4hlaA-1u2eA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HLA_A_017A200_2
(PROTEASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 11 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.81A 4hlaB-1u2eA:
undetectable		 4hlaB-1u2eA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 ILE A 101
ASP A  26
LEU A  37
LEU A  92
ILE A 104
 None
 1.07A 4m2xC-1u2eA:
undetectable		 4m2xC-1u2eA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 ILE A 101
ASP A  26
LEU A  37
LEU A  92
ILE A 104
 None
 1.08A 4m2xE-1u2eA:
undetectable		 4m2xE-1u2eA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OKT_A_198A1001_1
(ANDROGEN RECEPTOR)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 LEU A 106
LEU A  37
GLY A 113
THR A 227
ILE A 229
 None
 1.23A 4oktA-1u2eA:
undetectable		 4oktA-1u2eA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WQ4_B_ACTB403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		3 / 3 ARG A 196
ASP A 197
ARG A 195
 None
 0.58A 4wq4B-1u2eA:
undetectable		 4wq4B-1u2eA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		3 / 3 ASN A  49
ALA A  44
ARG A 188
 CL  A1002 ( 3.8A)
CL  A1002 (-3.5A)
CL  A1002 (-3.5A)
 0.56A 5cvtB-1u2eA:
4.0		 5cvtB-1u2eA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 GLY A 262
TRP A 264
GLY A 150
ILE A 172
GLY A  39
 None
None
None
None
CL  A1002 ( 3.7A)
 0.93A 5d4uC-1u2eA:
2.7		 5d4uC-1u2eA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 GLY A 262
TRP A 264
GLY A 150
ILE A 172
GLY A  39
 None
None
None
None
CL  A1002 ( 3.7A)
 0.96A 5d4uD-1u2eA:
undetectable		 5d4uD-1u2eA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOX_A_RFPA502_1
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 12 GLY A 136
GLY A 150
ILE A 151
GLY A 139
GLY A 138
 None
 0.77A 5koxA-1u2eA:
undetectable		 5koxA-1u2eA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR0_A_478A101_2
(PROTEASE E35D-APV)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 9 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 1.05A 5kr0B-1u2eA:
undetectable		 5kr0B-1u2eA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		4 / 8 LEU A 246
ALA A 242
ILE A 257
LEU A 255
 None
 0.80A 5te8B-1u2eA:
undetectable		 5te8B-1u2eA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE
(Escherichia
coli) 		5 / 11 ASP A 235
VAL A 238
THR A 148
PHE A 173
GLN A 266
 None
 1.29A 6dryA-1u2eA:
undetectable		 6dryA-1u2eA:
21.80